methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-5-oxo-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C30H21N3O6S2 MolecularWeight: 583.63424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C30H21N3O6S2/c1-38-28(37)19-13-11-18(12-14-19)24-23(25(34)22-15-20-9-5-6-10-21(20)39-22)26(35)27(36)33(24)29-31-32-30(41-29)40-16-17-7-3-2-4-8-17/h2-15,24,35H,16H2,1H3